(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one

C24H32Br2O2 — CID 159543054

IUPAC(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
SMILESCCCCCC(=O)c1ccc(Br)cc1.CCCCC[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrO.C12H15BrO/c2*1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3;6-9H,2-5H2,1H3/t12-;/m1./s1
InChIKeyMELNDMHJOPIGTR-UTONKHPSSA-N
MW512.33 g/mol
LogP8.27
Rot. Bonds10

About (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one

(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one (PubChem CID 159543054) has the molecular formula C24H32Br2O2 and a molecular weight of 512.33 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
PubChem CID159543054
Molecular FormulaC24H32Br2O2
Molecular Weight512.33 g/mol
Exact Mass510.08
IUPAC Name(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
SMILESCCCCCC(=O)c1ccc(Br)cc1.CCCCC[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrO.C12H15BrO/c2*1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3;6-9H,2-5H2,1H3/t12-;/m1./s1
InChIKeyMELNDMHJOPIGTR-UTONKHPSSA-N
XLogP8.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.33
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
CID 175118558
1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 63484274
1-[4-(1-aminoethyl)phenyl]octan-1-one
CID 67603381
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
4-bromo-N-heptan-2-ylbenzamide
CID 3735409

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one?
The IUPAC name of (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one (CID 159543054) is (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one.
What is the SMILES notation for (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one?
The canonical SMILES for (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one is CCCCCC(=O)c1ccc(Br)cc1.CCCCC[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one?
The InChIKey is MELNDMHJOPIGTR-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17BrO.C12H15BrO/c2*1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3;6-9H,2-5H2,1H3/t12-;/m1./s1.
What are the key properties of (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one?
(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one has a molecular weight of 512.33 g/mol, XLogP of 8.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one is sourced from PubChem (CID 159543054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).